Home Other Building Blocks 4,5,6-trifluoro-1H-indole

4,5,6-trifluoro-1H-indole

CAS No.:
884494-65-9
Catalog Number:
AG01C038
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
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Product Description
Catalog Number:
AG01C038
Chemical Name:
4,5,6-trifluoro-1H-indole
CAS Number:
884494-65-9
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD03095054
IUPAC Name:
4,5,6-trifluoro-1H-indole
InChI:
InChI=1S/C8H4F3N/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,12H
InChI Key:
IFMWWSIBNPNIKC-UHFFFAOYSA-N
SMILES:
Fc1cc2[nH]ccc2c(c1F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties